UCSF

ZINC16527416

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 22 Yes

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) 2.99 7.24 -7.2 0 3 0 24 304.478 2
Mid Mid (pH 6-8) 2.99 9.54 -47.42 1 3 1 25 305.486 2

Activity (Go SEA)

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