UCSF

ZINC32511746

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 23 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) 2.58 3.09 -8.53 3 6 0 97 310.357 4
Ref Reference (pH 7) 2.58 2.2 -9.74 3 6 0 97 310.357 4
Lo Low (pH 4.5-6) 2.58 3.24 -54.16 4 6 1 99 311.365 4

Activity (Go SEA)

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