UCSF

ZINC37299594

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 1.52 3.99 -83.63 4 4 2 54 267.417 7
Hi High (pH 8-9.5) 1.52 4.97 -33.21 3 4 1 53 266.409 7
Mid Mid (pH 6-8) 1.52 3.12 -48.03 3 4 1 53 266.409 7

Activity (Go SEA)

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