UCSF

ZINC36777714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 1.78 8.15 -11.99 0 5 0 51 266.304 4
Lo Low (pH 4.5-6) 1.78 8.55 -35.28 1 5 1 52 267.312 4

Activity (Go SEA)

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