UCSF

ZINC70439299

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2011 20 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) 3.21 7.11 -9.58 0 3 0 25 266.344 0
Lo Low (pH 4.5-6) 3.21 9.3 -50.58 1 3 1 26 267.352 0

Activity (Go SEA)

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