UCSF

ZINC14987389

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 27 No

CAS Number:

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) 0.15 7 -46.41 3 7 0 114 366.373 3
Mid Mid (pH 6-8) 0.15 5.33 -52.48 2 7 -1 110 365.365 3

Activity (Go SEA)

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