UCSF

ZINC36753695

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 25 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) 2.99 6.18 -19.44 1 7 0 92 382.511 9
Hi High (pH 8-9.5) 2.81 5.15 -46.46 0 7 -1 99 381.503 9

Activity (Go SEA)

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