UCSF

ZINC36737458

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 2.20 0.91 -12.28 5 5 0 96 272.304 3
Hi High (pH 8-9.5) 2.20 1.91 -56.59 4 5 -1 98 271.296 3

Activity (Go SEA)

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