UCSF

ZINC72117975

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2012 24 No

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) 5.01 7.74 -8.7 2 4 0 73 361.228 3
Hi High (pH 8-9.5) 5.19 6.29 -36.12 1 4 -1 79 360.22 3

Activity (Go SEA)

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