UCSF

ZINC36737740

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) 2.50 3.95 -9.81 4 5 0 99 267.288 2
Hi High (pH 8-9.5) 2.50 4.96 -54.09 3 5 -1 102 266.28 2

Activity (Go SEA)

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