UCSF

ZINC02021839

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 32 No

CAS Number: 82586-55-8

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.49 13.93 -64.32 2 7 0 103 438.524 10
Mid Mid (pH 6-8) 1.49 13.12 -69.33 1 7 -1 99 437.516 10

Vendor Notes

Note Type Comments Provided By
mechanism Angiotensin converting enzyme inhibitor IBScreen Bioactives
biological_use Antihypertensive agent IBScreen Bioactives

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )