UCSF

ZINC40477089

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 18 Yes

Other Names:

MFCD18170411

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) 3.95 4.2 -6.17 2 3 0 41 308.175 4
Hi High (pH 8-9.5) 3.95 4.96 -39.01 1 3 -1 44 307.167 4

Activity (Go SEA)

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