UCSF

ZINC61820468

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 Yes

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) 4.43 9.97 -45.82 0 3 -1 43 311.199 2
Lo Low (pH 4.5-6) 4.43 9.82 -29.75 1 3 0 45 312.207 2

Activity (Go SEA)

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